1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide

C22H35N3O2S — CID 42284277

IUPAC1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cn(Cc2ccccc2)nc1C(C)(C)C
InChIInChI=1S/C22H35N3O2S/c1-6-8-15-25(16-9-7-2)28(26,27)20-18-24(23-21(20)22(3,4)5)17-19-13-11-10-12-14-19/h10-14,18H,6-9,15-17H2,1-5H3
InChIKeyISDNRXDAPMLLQM-UHFFFAOYSA-N
MW405.61 g/mol
LogP4.82
Rot. Bonds10

About 1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide

1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide (PubChem CID 42284277) has the molecular formula C22H35N3O2S and a molecular weight of 405.61 g/mol. Its IUPAC name is 1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide
PubChem CID42284277
Molecular FormulaC22H35N3O2S
Molecular Weight405.61 g/mol
Exact Mass405.24
IUPAC Name1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cn(Cc2ccccc2)nc1C(C)(C)C
InChIInChI=1S/C22H35N3O2S/c1-6-8-15-25(16-9-7-2)28(26,27)20-18-24(23-21(20)22(3,4)5)17-19-13-11-10-12-14-19/h10-14,18H,6-9,15-17H2,1-5H3
InChIKeyISDNRXDAPMLLQM-UHFFFAOYSA-N
XLogP4.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.61
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
CID 42284354
N,N-dibutyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283139
1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide
CID 42282856
3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide
CID 42283422
1-benzyl-3-tert-butyl-N-(2,5-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284483
1-benzyl-3-tert-butyl-N-(3,4-difluorophenyl)pyrazole-4-sulfonamide
CID 42284485
1-benzyl-3-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 42284527
1-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-3-tert-butylpyrazole-4-sulfonamide
CID 42284500
3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide
CID 54922420
1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide
CID 42284512
1-benzyl-4-tert-butyl-3-ethylpyrazole
CID 20664182
1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide
CID 42283017

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide (CID 42284277) is 1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1cn(Cc2ccccc2)nc1C(C)(C)C.
What is the InChIKey of 1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide?
The InChIKey is ISDNRXDAPMLLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2S/c1-6-8-15-25(16-9-7-2)28(26,27)20-18-24(23-21(20)22(3,4)5)17-19-13-11-10-12-14-19/h10-14,18H,6-9,15-17H2,1-5H3.
What are the key properties of 1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide?
1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide has a molecular weight of 405.61 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).